U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO2S
Molecular Weight 303.419
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-DIMETHOXY-4-PHENYLTHIOAMPHETAMINE

SMILES

COC1=CC(SC2=CC=CC=C2)=C(OC)C=C1CC(C)N

InChI

InChIKey=CSOTVYXYZSJOFL-UHFFFAOYSA-N
InChI=1S/C17H21NO2S/c1-12(18)9-13-10-16(20-3)17(11-15(13)19-2)21-14-7-5-4-6-8-14/h4-8,10-12H,9,18H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H21NO2S
Molecular Weight 303.419
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:21:00 GMT 2025
Edited
by admin
on Mon Mar 31 22:21:00 GMT 2025
Record UNII
3961V7J60A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALEPH-6
Preferred Name English
2,5-DIMETHOXY-4-PHENYLTHIOAMPHETAMINE
Systematic Name English
BENZENEETHANAMINE, 2,5-DIMETHOXY-.ALPHA.-METHYL-4-(PHENYLTHIO)-
Systematic Name English
2,5-DIMETHOXY-.ALPHA.-METHYL-4-(PHENYLTHIO)BENZENEETHANAMINE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA PiHKAL
Created by admin on Mon Mar 31 22:21:00 GMT 2025 , Edited by admin on Mon Mar 31 22:21:00 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID501024775
Created by admin on Mon Mar 31 22:21:00 GMT 2025 , Edited by admin on Mon Mar 31 22:21:00 GMT 2025
PRIMARY
FDA UNII
3961V7J60A
Created by admin on Mon Mar 31 22:21:00 GMT 2025 , Edited by admin on Mon Mar 31 22:21:00 GMT 2025
PRIMARY
CAS
952006-44-9
Created by admin on Mon Mar 31 22:21:00 GMT 2025 , Edited by admin on Mon Mar 31 22:21:00 GMT 2025
PRIMARY
PUBCHEM
44719475
Created by admin on Mon Mar 31 22:21:00 GMT 2025 , Edited by admin on Mon Mar 31 22:21:00 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY